Re: CCL:Dock 4.0 compilation

["Ray Crawford" <iguana %-% at %-% mail.one.net>]

 Hi!!
 	That is exactly what the problem with elements.h is.  I reported
 this bug back to Kuntz's group about 3 months ago, but apparently,
 they have not fixed it yet.....  Oh well...  It's easy enough to fix
 yourself...
 	Ray.
 Date:          Wed, 22 Apr 1998 10:55:34 -0700 (PDT)
 From:          Arno Papazyan <arno %-% at %-% rcf.usc.edu>
 To:            rachelle bienstock <rachelle %-% at %-% odo.niehs.nih.gov>
 Cc:            chemistry %-% at %-% www.ccl.net
 Subject:       CCL:Dock 4.0 compilation
 Sounds like there are too many continuation lines (the ones that have
 "+"s in the 6th column) for the compiler's taste. Unless the compiler
 gives you the option of increasing that limit, you'll have to break the
 statement into separate pieces.
 ----------------------------------
 Arno Papazyan
 Department of Chemistry
 University of Southern California
 Los Angeles, CA 90089
 Phone: (213)740-7671
 e-mail: arno %-% at %-% usc.edu
 http://apriori.usc.edu/arno
 -----------------------------------
 On Wed, 22 Apr 1998, rachelle bienstock wrote:
 > Hi-
 >
 > I am trying to compile Dock 4.0 on an SGI Octane running Irix 6.4
 > and have encountered the following error in the compilation.
 >
 >         f77 -O2 -c mol2sdf.f
 > "elements.h", line 135: error(2008): too many lines in statement
 >        +                        257.00000,      ! 100 FM Fermiuim
 >
 >
 > "elements.h", line 134: error(2147): expected a constant
 >        +                        252.00000,      !  99 ES
 > Einsteinium
 >
 > ^
 >
 > "elements.h", line 134: error(2112): expected a "/"
 >        +                        252.00000,      !  99 ES
 > Einsteinium
 >
 > ^
 >
 > 3 errors detected in the compilation of "mol2sdf.f".
 > *** Error code 2 (bu21)
 > *** Error code 1 (bu21)
 >
 > Does anyone have any suggestions or recommendations, or has this
 > happened to anyone else?
 >
 > Thanks, Rachelle
 > --
 > *******************************
 > Dr. Rachelle J. Bienstock
 > Molecular Modeler and Computational Chemist
 > NIH/NIEHS
 > 111 T.W. Alexander Drive
 > P.O. Box 12233 MD F0-01
 > Research Triangle Park, NC 27709
 > Tel.: (919) 541-3397
 > e-mail: rachelle %-% at %-% picard.niehs.nih.gov or
 > rachelle %-% at %-% odo.niehs.nih.gov
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 Ray Crawford
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